3-[(2-azanylethylsulfonylamino)-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[(2-azanylethylsulfonylamino)-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonyl-amino]propanoic acid Openeye Name: 3-[(2-aminoethylsulfonylamino)-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: 3-[(2-aminoethylsulfonylamino)-[oxo-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[(2-aminoethylsulfonylamino)-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid Traditional Name: 3-[(taurylamino)-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propionic acid Formula: C18H28N6O6S MolecularWeight: 456.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NCCOC2=CC=C(C=C2)C(=O)N(CCC(=O)O)NS(=O)(=O)CCN

Isomeric SMILES

C1CNC(=NC1)NCCOC2=CC=C(C=C2)C(=O)N(CCC(=O)O)NS(=O)(=O)CCN

InChI

InChI=1S/C18H28N6O6S/c19-7-13-31(28,29)23-24(11-6-16(25)26)17(27)14-2-4-15(5-3-14)30-12-10-22-18-20-8-1-9-21-18/h2-5,23H,1,6-13,19H2,(H,25,26)(H2,20,21,22)